3,3-dimethyl-2-phenyl-oxirane-2-carbonitrile
Modify Date: 2025-09-14 12:10:23
3,3-dimethyl-2-phenyl-oxirane-2-carbonitrile structure
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Common Name | 3,3-dimethyl-2-phenyl-oxirane-2-carbonitrile | ||
|---|---|---|---|---|
| CAS Number | 5445-32-9 | Molecular Weight | 173.21100 | |
| Density | 1.12g/cm3 | Boiling Point | 296ºC at 760 mmHg | |
| Molecular Formula | C11H11NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 124.6ºC | |
| Name | 3,3-dimethyl-2-phenyloxirane-2-carbonitrile |
|---|---|
| Synonym | More Synonyms |
| Density | 1.12g/cm3 |
|---|---|
| Boiling Point | 296ºC at 760 mmHg |
| Molecular Formula | C11H11NO |
| Molecular Weight | 173.21100 |
| Flash Point | 124.6ºC |
| Exact Mass | 173.08400 |
| PSA | 36.32000 |
| LogP | 2.21428 |
| Index of Refraction | 1.554 |
| InChIKey | QYZLROUWJUJIEL-UHFFFAOYSA-N |
| SMILES | CC1(C)OC1(C#N)c1ccccc1 |
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~77%
3,3-dimethyl-2-... CAS#:5445-32-9 |
| Literature: Li, Zhou; Gevorgyan, Vladimir Angewandte Chemie - International Edition, 2011 , vol. 50, # 12 p. 2808 - 2810 |
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~49%
3,3-dimethyl-2-... CAS#:5445-32-9 |
| Literature: Okimoto, Mitsuhiro; Chiba, Toshiro Journal of Organic Chemistry, 1993 , vol. 58, # 23 p. 6194 - 6197 |
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~49%
3,3-dimethyl-2-... CAS#:5445-32-9
Detail
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| Literature: Okimoto, Mitsuhiro; Chiba, Toshiro Journal of Organic Chemistry, 1993 , vol. 58, # 23 p. 6194 - 6197 |
CAS#:76527-29-2|
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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| 2,2-Dimethyl-3-phenyl-3-oxiranecarbonitrile |
| HMS3091F15 |
| 3,3-dimethyl-2-phenyl-oxiranecarbonitrile |